3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-methylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-methylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-[(4-methyl-1-piperazinyl)-oxomethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-fluorobenzyl)-5-methyl-6-(4-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C20H21FN4O2S/c1-13-16-18(28-17(13)20(27)24-8-6-23(2)7-9-24)22-12-25(19(16)26)11-14-4-3-5-15(21)10-14/h3-5,10,12H,6-9,11H2,1-2H3